Geometry & MOs

Info

ID:	39117
PubChem CID:	8139717
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	328.166117
ΔH_f, kcal/mol:	-178.25
Dipole, Da:	8.48
IP(EA), eV:	-8.62(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(3-methyl-4-nitrobenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C)OC(=O)[C@@H](CCSC)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations